#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6j n SER 2 N 0.00 0.50 -4.70 4.39 3.41 -1.26 -4.84 113.62 111.12 1s6j n SER 2 Ca 0.00 -2.01 -0.42 0.00 -0.26 0.00 0.00 58.87 56.18 1s6j n SER 2 Cb 0.00 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 1s6j n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1s6j s SER 3 N -0.95 7.15 0.00 4.04 1.04 -1.26 -2.99 113.70 120.74 1s6j s SER 3 Ca 0.06 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1s6j s SER 3 Cb 0.03 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1s6j s SER 3 CO 0.04 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1s6j n GLY 4 N 3.20 0.95 0.05 7.32 0.00 -1.26 -4.88 105.19 110.58 1s6j n GLY 4 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1s6j n GLY 4 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s6j n HIS 5 N -1.60 0.00 -2.97 1.61 -0.00 -1.18 -4.76 115.22 106.32 1s6j n HIS 5 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 1s6j n HIS 5 Cb 0.00 -0.43 -0.01 0.00 -0.00 0.00 0.00 29.99 29.55 1s6j n HIS 5 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1s6j n ILE 6 N -2.71 4.88 -2.19 1.59 5.41 -1.16 -4.46 119.36 120.72 1s6j n ILE 6 Ca -0.19 -5.81 0.00 0.00 1.00 0.00 0.00 62.75 57.75 1s6j n ILE 6 Cb 0.73 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 1s6j n ILE 6 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s6j n ASP 7 N 0.73 0.00 -2.39 4.38 8.00 -1.26 -5.01 116.55 121.00 1s6j n ASP 7 Ca 0.33 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.62 1s6j n ASP 7 Cb 0.33 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.32 1s6j n ASP 7 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s6j n ASP 8 N 0.00 6.19 -4.99 -2.24 9.92 -1.26 -4.89 116.55 119.28 1s6j n ASP 8 Ca 0.00 -2.71 -0.20 0.00 -0.53 0.00 0.00 54.79 51.35 1s6j n ASP 8 Cb 0.00 -1.39 0.03 0.00 -0.64 0.00 0.00 41.12 39.12 1s6j n ASP 8 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1s6j s ASP 9 N 1.53 5.13 -0.00 -2.24 1.47 -1.26 -5.05 116.67 116.25 1s6j s ASP 9 Ca 0.65 -0.81 0.22 0.00 1.18 0.00 0.00 52.55 53.78 1s6j s ASP 9 Cb 0.31 0.00 -0.21 0.00 -0.34 0.00 0.00 42.92 42.67 1s6j s ASP 9 CO -0.07 -1.09 0.79 0.47 0.68 0.00 0.00 175.17 175.95 1s6j n ASP 10 N -1.98 0.61 0.09 2.11 9.92 -1.26 -4.11 116.55 121.92 1s6j n ASP 10 Ca 0.09 -0.54 -0.13 0.00 -0.53 0.00 0.00 54.79 53.68 1s6j n ASP 10 Cb 0.62 1.29 -0.13 0.00 -0.64 0.00 0.00 41.12 42.25 1s6j n ASP 10 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1s6j h LYS 11 N 0.00 0.21 -0.07 -1.24 -0.00 -1.96 -3.21 116.57 110.29 1s6j h LYS 11 Ca 0.00 -0.34 -0.18 0.00 -0.00 0.00 0.00 60.65 60.13 1s6j h LYS 11 Cb 0.70 0.13 -0.01 0.00 -0.00 0.00 0.00 32.23 33.05 1s6j h LYS 11 CO 0.00 1.16 -0.72 1.25 -0.00 0.00 0.00 179.45 181.14 1s6j h HIS 12 N 0.06 0.50 0.00 0.07 2.76 -1.78 -0.82 115.15 115.93 1s6j h HIS 12 Ca -0.10 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 57.83 1s6j h HIS 12 Cb 1.90 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 30.78 1s6j h HIS 12 CO 0.05 0.96 -0.10 1.98 -1.30 0.00 0.00 177.93 179.52 1s6j h MET 13 N 0.25 0.00 0.00 5.26 -1.53 -1.71 -0.19 114.93 117.01 1s6j h MET 13 Ca -0.03 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1s6j h MET 13 Cb 1.29 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.34 1s6j h MET 13 CO 0.12 0.10 -1.09 0.00 0.14 0.00 0.00 176.91 176.18 1s6j n ALA 14 N -2.50 3.81 0.11 0.39 0.00 -1.13 -3.80 120.51 117.39 1s6j n ALA 14 Ca -0.03 -0.48 0.04 0.00 0.00 0.00 0.00 53.44 52.97 1s6j n ALA 14 Cb 0.18 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1s6j n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1s6j h GLU 15 N 0.00 0.00 0.00 0.00 4.81 0.08 -3.38 114.58 116.09 1s6j h GLU 15 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1s6j h GLU 15 Cb 0.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1s6j h GLU 15 CO 0.00 0.31 -0.14 0.07 -0.73 0.00 0.00 179.01 178.52 1s6j h ARG 16 N 0.00 0.00 -6.17 1.92 0.11 -1.22 -3.47 114.38 105.55 1s6j h ARG 16 Ca -0.06 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.36 1s6j h ARG 16 Cb 1.36 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.31 1s6j h ARG 16 CO 0.04 0.09 -0.63 -0.51 0.10 0.00 0.00 179.97 179.06 1s6j s LEU 17 N -8.44 3.58 -0.87 0.08 1.43 -1.25 -5.07 118.68 108.14 1s6j s LEU 17 Ca -0.05 -0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 1s6j s LEU 17 Cb 0.00 -2.12 0.22 0.00 0.03 0.00 0.00 46.19 44.32 1s6j s LEU 17 CO 0.11 0.25 0.79 -0.55 0.23 0.00 0.00 176.35 177.18 1s6j s SER 18 N -1.79 6.56 0.00 2.29 0.15 -1.26 -4.55 113.70 115.10 1s6j s SER 18 Ca 0.22 -3.03 0.28 0.00 0.70 0.00 0.00 55.95 54.12 1s6j s SER 18 Cb -0.12 -2.12 0.99 0.00 -1.71 0.00 0.00 66.02 63.06 1s6j s SER 18 CO 0.13 -0.44 1.73 -1.84 1.20 0.00 0.00 173.24 174.03 1s6j n GLU 19 N 3.44 0.33 -0.24 5.44 0.00 -1.26 -3.81 120.64 124.54 1s6j n GLU 19 Ca 0.16 -0.13 0.32 0.00 0.00 0.00 0.00 57.16 57.51 1s6j n GLU 19 Cb 0.43 -1.50 0.72 0.00 0.00 0.00 0.00 31.44 31.09 1s6j n GLU 19 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1s6j h GLU 20 N 0.31 0.00 0.00 3.44 4.81 -1.92 -3.04 114.58 118.18 1s6j h GLU 20 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s6j h GLU 20 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1s6j h GLU 20 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.37 1s6j n GLU 21 N -4.01 0.00 0.10 1.92 2.13 -1.26 -1.80 120.64 117.72 1s6j n GLU 21 Ca 0.22 0.00 0.05 0.00 0.66 0.00 0.00 57.16 58.09 1s6j n GLU 21 Cb 1.16 0.00 0.29 0.00 0.27 0.00 0.00 31.44 33.16 1s6j n GLU 21 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1s6j n ILE 22 N -1.45 1.18 0.04 6.31 -5.35 -1.26 -2.97 119.36 115.85 1s6j n ILE 22 Ca 0.00 0.64 -0.08 0.00 -0.27 0.00 0.00 62.75 63.05 1s6j n ILE 22 Cb 0.00 -1.64 -0.05 0.00 -1.74 0.00 0.00 39.64 36.21 1s6j n ILE 22 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1s6j h GLY 23 N 0.00 -1.24 -0.11 3.28 0.00 -1.63 -3.04 103.07 100.33 1s6j h GLY 23 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1s6j h GLY 23 CO 0.00 -0.38 -0.39 0.61 0.00 0.00 0.00 176.54 176.38 1s6j n GLY 24 N -1.23 -0.47 0.51 4.60 0.00 -1.19 -4.31 105.19 103.09 1s6j n GLY 24 Ca -0.04 -0.49 0.29 0.00 0.00 0.00 0.00 46.02 45.79 1s6j n GLY 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s6j h LEU 25 N 1.44 0.00 0.00 0.99 7.12 -1.42 0.57 115.31 124.00 1s6j h LEU 25 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1s6j h LEU 25 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1s6j h LEU 25 CO 0.00 0.00 -0.06 0.50 -0.13 0.00 0.00 178.44 178.75 1s6j h LYS 26 N 0.00 0.00 0.00 1.25 1.63 -1.75 -3.34 116.57 114.36 1s6j h LYS 26 Ca 0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1s6j h LYS 26 Cb 2.45 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.08 1s6j h LYS 26 CO -0.00 0.00 -0.08 0.93 -3.45 0.00 0.00 179.45 176.85 1s6j h GLU 27 N -0.20 0.00 0.17 1.90 5.08 -1.75 -3.38 114.58 116.39 1s6j h GLU 27 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1s6j h GLU 27 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1s6j h GLU 27 CO 0.00 0.00 -0.08 1.25 -1.00 0.00 0.00 179.01 179.18 1s6j h LEU 28 N -0.16 -0.19 -0.86 1.33 7.12 -1.80 -1.36 115.31 119.39 1s6j h LEU 28 Ca 0.00 0.01 0.22 0.00 0.13 0.00 0.00 57.88 58.24 1s6j h LEU 28 Cb 0.08 0.05 -0.14 0.00 -0.53 0.00 0.00 40.66 40.12 1s6j h LEU 28 CO 0.00 -0.14 0.16 0.15 -0.13 0.00 0.00 178.44 178.48 1s6j h PHE 29 N -0.23 0.22 -0.39 1.25 3.57 -0.16 0.84 116.94 122.04 1s6j h PHE 29 Ca -0.02 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1s6j h PHE 29 Cb 0.17 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1s6j h PHE 29 CO 0.19 -0.24 -0.04 1.57 -2.23 0.00 0.00 178.31 177.56 1s6j h LYS 30 N 0.16 0.72 0.00 1.11 5.09 -1.60 -1.11 116.57 120.94 1s6j h LYS 30 Ca 0.52 -0.25 0.00 0.00 0.09 0.00 0.00 60.65 61.01 1s6j h LYS 30 Cb 1.03 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.31 1s6j h LYS 30 CO -0.68 0.84 0.00 1.98 -2.09 0.00 0.00 179.45 179.49 1s6j h MET 31 N 0.54 0.00 0.04 0.07 4.05 0.31 -2.68 114.93 117.26 1s6j h MET 31 Ca 0.11 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.20 1s6j h MET 31 Cb 0.54 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 1s6j h MET 31 CO 0.03 0.00 -1.83 -0.89 0.23 0.00 0.00 176.91 174.44 1s6j n ILE 32 N -2.48 1.61 -1.95 1.77 2.08 -0.49 -4.86 119.36 115.04 1s6j n ILE 32 Ca -0.01 -0.34 -0.43 0.00 0.56 0.00 0.00 62.75 62.54 1s6j n ILE 32 Cb 0.11 -1.85 -0.03 0.00 -0.75 0.00 0.00 39.64 37.12 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1s6j s ASP 33 N -6.99 6.39 0.03 4.38 2.15 -0.46 -4.83 116.67 117.34 1s6j s ASP 33 Ca -0.29 2.05 0.10 0.00 0.43 0.00 0.00 52.55 54.83 1s6j s ASP 33 Cb 0.08 -2.53 0.42 0.00 -0.30 0.00 0.00 42.92 40.59 1s6j s ASP 33 CO 0.63 -1.18 1.31 0.41 -0.17 0.00 0.00 175.17 176.17 1s6j n THR 34 N 6.07 1.38 0.40 1.71 -1.04 -1.26 -1.08 114.28 120.46 1s6j n THR 34 Ca 0.20 0.37 0.04 0.00 -2.04 0.00 0.00 64.05 62.61 1s6j n THR 34 Cb 0.44 -1.23 -0.05 0.00 -1.82 0.00 0.00 70.33 67.66 1s6j n THR 34 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1s6j n ASP 35 N -1.57 0.44 -2.05 8.00 8.00 -1.26 -4.97 116.55 123.14 1s6j n ASP 35 Ca 0.02 -0.69 -0.01 0.00 0.71 0.00 0.00 54.79 54.82 1s6j n ASP 35 Cb 0.10 1.01 -0.00 0.00 -0.02 0.00 0.00 41.12 42.21 1s6j n ASP 35 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1s6j n ASN 36 N -1.21 -0.93 0.10 -2.24 6.94 -0.24 -4.66 115.26 113.01 1s6j n ASN 36 Ca 0.02 0.34 0.12 0.00 -0.02 0.00 0.00 54.58 55.04 1s6j n ASN 36 Cb 0.13 -1.04 0.17 0.00 -2.36 0.00 0.00 39.78 36.69 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1s6j h SER 37 N 0.00 0.00 0.00 0.53 4.64 -1.93 -3.47 113.55 113.32 1s6j h SER 37 Ca -0.02 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1s6j h SER 37 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1s6j h SER 37 CO 0.03 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1s6j n GLY 38 N 1.27 1.31 3.11 -0.77 0.00 -1.26 -5.10 105.19 103.74 1s6j n GLY 38 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1s6j n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6j s THR 39 N -2.00 -0.03 0.03 2.61 -4.23 -1.26 -4.94 115.64 105.82 1s6j s THR 39 Ca 0.00 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 1s6j s THR 39 Cb 0.00 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.38 1s6j s THR 39 CO 0.00 0.05 0.01 -0.63 -0.54 0.00 0.00 174.62 173.50 1s6j s ILE 40 N 1.12 4.13 0.13 2.99 1.09 -1.03 -4.77 121.20 124.87 1s6j s ILE 40 Ca -0.08 -0.74 0.04 0.00 -1.10 0.00 0.00 60.65 58.77 1s6j s ILE 40 Cb -0.09 -2.89 -0.04 0.00 -1.06 0.00 0.00 42.46 38.38 1s6j s ILE 40 CO -0.08 0.28 -0.09 -0.89 -0.10 0.00 0.00 174.94 174.06 1s6j s THR 41 N -1.18 1.01 0.11 2.92 2.01 -1.26 -0.44 115.64 118.81 1s6j s THR 41 Ca 0.22 -2.01 -0.22 0.00 0.31 0.00 0.00 61.69 59.99 1s6j s THR 41 Cb -0.12 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1s6j s THR 41 CO 0.14 -0.78 1.13 0.33 -0.69 0.00 0.00 174.62 174.74 1s6j n PHE 42 N -0.13 -0.31 -0.35 4.92 7.35 -1.26 0.23 117.46 127.91 1s6j n PHE 42 Ca -0.11 0.88 0.12 0.00 -0.76 0.00 0.00 57.45 57.58 1s6j n PHE 42 Cb 0.61 -0.55 0.32 0.00 0.35 0.00 0.00 39.48 40.20 1s6j n PHE 42 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1s6j h ASP 43 N 0.00 0.80 0.84 -2.13 3.58 -1.97 0.19 116.42 117.72 1s6j h ASP 43 Ca 0.11 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1s6j h ASP 43 Cb 0.29 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1s6j h ASP 43 CO -0.66 0.33 -0.58 -0.62 -2.88 0.00 0.00 179.24 174.83 1s6j n GLU 44 N -4.70 0.25 0.18 0.28 1.02 0.25 -3.98 120.64 113.93 1s6j n GLU 44 Ca 0.22 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1s6j n GLU 44 Cb 0.52 -1.66 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 1s6j n GLU 44 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s6j h LEU 45 N 0.00 -0.44 -2.09 -4.62 5.85 0.60 -3.25 115.31 111.36 1s6j h LEU 45 Ca 0.00 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.76 1s6j h LEU 45 Cb 0.71 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1s6j h LEU 45 CO 0.00 0.01 0.23 0.07 -0.34 0.00 0.00 178.44 178.41 1s6j h LYS 46 N -1.10 0.00 0.00 1.25 2.10 -1.58 -1.20 116.57 116.05 1s6j h LYS 46 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1s6j h LYS 46 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1s6j h LYS 46 CO 0.09 0.00 0.33 0.22 -2.00 0.00 0.00 179.45 178.08 1s6j h ASP 47 N 0.00 0.00 0.13 7.07 3.58 -1.69 1.09 116.42 126.61 1s6j h ASP 47 Ca 0.13 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1s6j h ASP 47 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1s6j h ASP 47 CO -0.00 0.00 -0.06 1.23 -2.88 0.00 0.00 179.24 177.52 1s6j h GLY 48 N 0.00 -0.19 0.97 -0.78 0.00 -1.38 -0.67 103.07 101.02 1s6j h GLY 48 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1s6j h GLY 48 CO 0.00 -0.07 -0.63 1.04 0.00 0.00 0.00 176.54 176.88 1s6j n LEU 49 N -4.95 0.59 0.10 3.11 4.77 -0.19 -3.73 117.00 116.70 1s6j n LEU 49 Ca -0.09 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1s6j n LEU 49 Cb 0.26 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1s6j n LEU 49 CO 0.30 0.05 0.24 0.50 -1.33 0.00 0.00 177.39 177.15 1s6j h LYS 50 N 0.00 0.00 0.00 3.23 1.63 0.11 -1.01 116.57 120.53 1s6j h LYS 50 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1s6j h LYS 50 Cb 0.62 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1s6j h LYS 50 CO 0.00 0.47 -0.24 -0.09 -3.45 0.00 0.00 179.45 176.14 1s6j h ARG 51 N 0.00 0.00 0.00 1.90 2.43 -1.20 -3.14 114.38 114.37 1s6j h ARG 51 Ca -0.05 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.79 1s6j h ARG 51 Cb 1.46 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.95 1s6j h ARG 51 CO 0.06 0.24 -2.28 1.55 -1.51 0.00 0.00 179.97 178.04 1s6j n VAL 52 N -3.34 1.31 -3.73 0.20 3.14 -1.21 -5.02 118.33 109.68 1s6j n VAL 52 Ca 0.01 -0.83 -0.22 0.00 -2.96 0.00 0.00 64.34 60.34 1s6j n VAL 52 Cb 0.47 -0.49 0.03 0.00 -1.06 0.00 0.00 33.84 32.79 1s6j n VAL 52 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s6j n GLY 53 N 1.69 -0.31 0.00 7.55 0.00 -0.39 -4.98 105.19 108.75 1s6j n GLY 53 Ca -0.29 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1s6j n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s6j n SER 54 N -3.03 0.00 -3.63 1.61 7.64 -1.25 -4.97 113.62 109.98 1s6j n SER 54 Ca -0.26 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.34 1s6j n SER 54 Cb 0.66 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.76 1s6j n SER 54 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1s6j n GLU 55 N 0.00 2.15 -3.89 1.43 -0.58 -1.26 -5.07 120.64 113.41 1s6j n GLU 55 Ca 0.00 -4.54 -0.22 0.00 -0.42 0.00 0.00 57.16 51.98 1s6j n GLU 55 Cb 0.00 -2.24 -0.05 0.00 -0.57 0.00 0.00 31.44 28.58 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1s6j s LEU 56 N -1.96 3.41 -0.23 -4.62 2.34 -1.26 -5.12 118.68 111.24 1s6j s LEU 56 Ca 0.33 -0.68 0.00 0.00 0.06 0.00 0.00 54.13 53.85 1s6j s LEU 56 Cb 0.06 -1.97 0.06 0.00 -0.56 0.00 0.00 46.19 43.78 1s6j s LEU 56 CO -0.09 -0.40 -0.05 -0.04 -1.06 0.00 0.00 176.35 174.71 1s6j s MET 57 N -3.96 1.57 0.35 1.48 -1.94 -1.26 -4.96 119.30 110.58 1s6j s MET 57 Ca 0.41 -0.93 0.18 0.00 -1.71 0.00 0.00 55.69 53.64 1s6j s MET 57 Cb -0.04 -2.54 0.97 0.00 2.01 0.00 0.00 34.83 35.24 1s6j s MET 57 CO 0.25 -0.59 1.49 1.05 -0.01 0.00 0.00 175.02 177.21 1s6j h GLU 58 N 7.98 0.00 0.15 2.03 4.11 -2.00 0.34 114.58 127.18 1s6j h GLU 58 Ca -0.18 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.89 1s6j h GLU 58 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1s6j h GLU 58 CO 0.41 0.00 -1.85 0.66 0.07 0.00 0.00 179.01 178.30 1s6j h SER 59 N 0.00 0.48 0.06 3.06 4.64 -2.02 -3.35 113.55 116.42 1s6j h SER 59 Ca 0.00 -0.88 -0.07 0.00 -0.47 0.00 0.00 61.79 60.37 1s6j h SER 59 Cb 0.37 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1s6j h SER 59 CO 0.00 1.77 -0.23 -0.08 -0.87 0.00 0.00 176.83 177.42 1s6j h GLU 60 N 0.08 0.29 -0.17 4.77 4.57 -0.76 -2.19 114.58 121.17 1s6j h GLU 60 Ca -0.37 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 57.76 1s6j h GLU 60 Cb 2.06 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.62 1s6j h GLU 60 CO 0.13 0.51 0.26 0.82 -1.18 0.00 0.00 179.01 179.55 1s6j h ILE 61 N 0.26 0.29 0.24 2.32 1.08 -1.47 0.39 117.51 120.63 1s6j h ILE 61 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 1s6j h ILE 61 Cb 0.55 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 1s6j h ILE 61 CO 0.04 0.00 -0.11 0.11 -0.69 0.00 0.00 178.15 177.49 1s6j h LYS 62 N 0.00 -0.30 0.00 2.37 1.79 -1.57 0.66 116.57 119.52 1s6j h LYS 62 Ca 0.08 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1s6j h LYS 62 Cb 0.60 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1s6j h LYS 62 CO -0.00 -0.20 0.17 0.22 -1.08 0.00 0.00 179.45 178.56 1s6j h ASP 63 N -0.77 0.00 0.49 0.86 3.58 -1.48 0.78 116.42 119.88 1s6j h ASP 63 Ca -0.03 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.12 1s6j h ASP 63 Cb 0.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 1s6j h ASP 63 CO 0.05 0.00 -1.62 0.25 -2.88 0.00 0.00 179.24 175.04 1s6j h LEU 64 N 0.00 0.16 0.00 2.28 5.85 -0.06 -3.02 115.31 120.52 1s6j h LEU 64 Ca 0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1s6j h LEU 64 Cb 0.34 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1s6j h LEU 64 CO 0.00 1.24 -0.02 -0.03 -0.34 0.00 0.00 178.44 179.29 1s6j h MET 65 N 0.03 0.00 0.23 1.25 4.05 0.66 -3.36 114.93 117.79 1s6j h MET 65 Ca -0.26 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.15 1s6j h MET 65 Cb 1.99 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.79 1s6j h MET 65 CO 0.11 0.00 -0.11 0.38 0.23 0.00 0.00 176.91 177.52 1s6j h ASP 66 N -0.04 -0.26 -0.70 1.39 2.03 -1.21 -2.10 116.42 115.53 1s6j h ASP 66 Ca 0.00 -0.27 0.14 0.00 -0.73 0.00 0.00 57.03 56.17 1s6j h ASP 66 Cb 0.02 0.07 -0.10 0.00 -0.83 0.00 0.00 39.33 38.49 1s6j h ASP 66 CO 0.00 0.22 0.20 0.00 -1.03 0.00 0.00 179.24 178.63 1s6j h ALA 67 N -0.32 0.92 0.59 4.15 0.00 -1.65 -2.82 119.26 120.13 1s6j h ALA 67 Ca -0.03 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1s6j h ALA 67 Cb 0.51 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1s6j h ALA 67 CO 0.05 -0.29 -0.28 0.00 0.00 0.00 0.00 179.25 178.73 1s6j h ALA 68 N 1.55 -0.95 -1.70 0.00 0.00 -1.61 -3.40 119.26 113.15 1s6j h ALA 68 Ca 0.39 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.59 1s6j h ALA 68 Cb 0.61 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1s6j h ALA 68 CO -0.44 -0.90 1.37 0.34 0.00 0.00 0.00 179.25 179.62 1s6j s ASP 69 N -3.92 5.42 0.24 0.00 2.15 -0.79 -4.45 116.67 115.32 1s6j s ASP 69 Ca -0.12 0.96 0.24 0.00 0.43 0.00 0.00 52.55 54.07 1s6j s ASP 69 Cb 0.01 -2.52 0.47 0.00 -0.30 0.00 0.00 42.92 40.58 1s6j s ASP 69 CO 0.35 -2.14 1.52 -0.29 -0.17 0.00 0.00 175.17 174.43 1s6j h ILE 70 N 6.99 0.00 0.00 4.11 6.09 -1.78 -3.24 117.51 129.67 1s6j h ILE 70 Ca -0.30 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.52 1s6j h ILE 70 Cb 1.19 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.97 1s6j h ILE 70 CO 1.11 0.00 0.00 -0.67 -3.07 0.00 0.00 178.15 175.52 1s6j n ASP 71 N -2.48 0.00 -2.02 2.19 2.03 -1.26 -4.78 116.55 110.24 1s6j n ASP 71 Ca 0.04 0.22 -0.01 0.00 0.52 0.00 0.00 54.79 55.56 1s6j n ASP 71 Cb 0.47 -0.29 -0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1s6j n ASP 71 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1s6j n LYS 72 N -1.29 -2.30 -0.03 -0.67 -0.00 -1.23 -4.71 118.16 107.94 1s6j n LYS 72 Ca 0.02 0.07 0.12 0.00 -0.00 0.00 0.00 58.31 58.53 1s6j n LYS 72 Cb 0.04 -4.42 0.52 0.00 -0.00 0.00 0.00 35.03 31.17 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s6j n SER 73 N -0.75 1.24 0.00 -5.58 3.41 -1.26 -4.89 113.62 105.79 1s6j n SER 73 Ca -0.01 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.08 1s6j n SER 73 Cb 0.36 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1s6j n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6j n GLY 74 N 1.10 2.57 3.32 5.00 0.00 -1.26 -4.96 105.19 110.97 1s6j n GLY 74 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1s6j n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6j s THR 75 N -2.42 2.45 -0.18 2.61 2.01 -1.26 -4.47 115.64 114.38 1s6j s THR 75 Ca 0.00 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1s6j s THR 75 Cb 0.00 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 1s6j s THR 75 CO 0.00 0.56 0.17 -0.51 -0.69 0.00 0.00 174.62 174.15 1s6j s ILE 76 N -0.09 5.39 0.24 1.82 2.07 0.41 -4.90 121.20 126.15 1s6j s ILE 76 Ca -0.04 0.28 0.11 0.00 -1.41 0.00 0.00 60.65 59.59 1s6j s ILE 76 Cb -0.14 -3.50 -0.05 0.00 0.13 0.00 0.00 42.46 38.90 1s6j s ILE 76 CO 0.04 0.45 -0.16 -0.62 -1.91 0.00 0.00 174.94 172.74 1s6j s ASP 77 N 0.24 3.82 0.58 4.50 -1.08 -1.26 -2.47 116.67 121.00 1s6j s ASP 77 Ca 0.11 -0.86 0.29 0.00 -0.52 0.00 0.00 52.55 51.56 1s6j s ASP 77 Cb -0.12 -0.44 1.48 0.00 -1.46 0.00 0.00 42.92 42.38 1s6j s ASP 77 CO 0.00 0.06 1.91 0.22 0.52 0.00 0.00 175.17 177.88 1s6j h TYR 78 N 2.50 0.00 0.01 -5.34 3.20 -1.89 0.18 116.97 115.63 1s6j h TYR 78 Ca -0.43 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.24 1s6j h TYR 78 Cb 1.24 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 1s6j h TYR 78 CO 0.74 0.00 -0.92 0.78 -1.64 0.00 0.00 178.16 177.11 1s6j h GLY 79 N 0.00 0.07 0.69 1.82 0.00 -1.69 -3.30 103.07 100.65 1s6j h GLY 79 Ca 0.22 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1s6j h GLY 79 CO -0.00 0.13 0.11 0.83 0.00 0.00 0.00 176.54 177.61 1s6j h GLU 80 N 0.03 0.25 -0.98 4.80 4.39 -0.93 -1.37 114.58 120.76 1s6j h GLU 80 Ca -0.03 -0.02 0.32 0.00 0.34 0.00 0.00 59.36 59.98 1s6j h GLU 80 Cb 1.61 -0.06 -0.16 0.00 -0.10 0.00 0.00 28.75 30.04 1s6j h GLU 80 CO 0.13 0.17 0.45 0.74 -1.16 0.00 0.00 179.01 179.34 1s6j h PHE 81 N 0.26 0.71 0.10 4.33 -1.00 -1.63 0.42 116.94 120.13 1s6j h PHE 81 Ca 0.16 0.04 -0.28 0.00 2.81 0.00 0.00 57.97 60.70 1s6j h PHE 81 Cb 0.14 -0.15 0.02 0.00 3.61 0.00 0.00 35.95 39.57 1s6j h PHE 81 CO -0.15 -0.28 -1.20 0.82 -1.61 0.00 0.00 178.31 175.90 1s6j h ILE 82 N 0.20 1.33 -0.08 -0.55 1.08 -1.50 -3.22 117.51 114.76 1s6j h ILE 82 Ca 0.72 -2.54 0.02 0.00 -0.39 0.00 0.00 64.86 62.67 1s6j h ILE 82 Cb 1.67 2.68 -0.00 0.00 -3.07 0.00 0.00 36.82 38.09 1s6j h ILE 82 CO -0.68 0.76 0.11 0.00 -0.69 0.00 0.00 178.15 177.65 1s6j h ALA 83 N 0.40 1.57 -2.45 1.87 0.00 0.84 -3.35 119.26 118.14 1s6j h ALA 83 Ca -0.16 -0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.01 1s6j h ALA 83 Cb 1.87 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 19.40 1s6j h ALA 83 CO 0.22 -0.15 -0.34 0.00 0.00 0.00 0.00 179.25 178.98 1s6j s ALA 84 N -4.54 3.48 0.27 0.00 0.00 -0.50 -4.96 121.76 115.51 1s6j s ALA 84 Ca -0.05 -2.45 0.11 0.00 0.00 0.00 0.00 51.96 49.57 1s6j s ALA 84 Cb 0.15 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1s6j s ALA 84 CO 0.51 -1.89 -0.11 0.95 0.00 0.00 0.00 175.76 175.22 1s6j s THR 85 N 1.47 2.92 0.31 0.00 -4.23 -1.26 -4.92 115.64 109.93 1s6j s THR 85 Ca 0.04 -2.18 -0.13 0.00 -1.18 0.00 0.00 61.69 58.24 1s6j s THR 85 Cb -0.27 -2.54 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1s6j s THR 85 CO 0.01 -0.39 0.69 0.68 -0.54 0.00 0.00 174.62 175.08 1s6j s VAL 86 N -2.42 4.76 0.00 2.29 -7.23 -1.26 -5.21 120.40 111.32 1s6j s VAL 86 Ca 0.31 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 1s6j s VAL 86 Cb -0.06 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1s6j s VAL 86 CO 0.17 -0.20 0.00 1.41 -0.31 0.00 0.00 175.10 176.17